Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7451513 | 0.74 | KDM4E (0.59) | HSD17B10MAPK1USP2TSHRKDM4E | |
| SCHEMBL7440362 | 0.72 | MAPK1 (0.38) | HSD17B10MAPK1USP2TSHRKDM4E | |
| SCHEMBL14252745 | 0.72 | SMN1; SMN2 (0.40) | HSD17B10TSHRKDM4ELMNAALDH1A1 | |
| SCHEMBL2905044 | 0.71 | SMN1; SMN2 (0.38) | HSD17B10MAPK1TSHRKDM4ELMNA | |
| SCHEMBL28138436 | 0.71 | SMN1; SMN2 (0.40) | HSD17B10MAPK1TSHRKDM4ELMNA | |
| SCHEMBL28166901 | 0.70 | ABL1 (0.42) | HSD17B10TSHRKDM4ELMNAALDH1A1 | |
| SCHEMBL3718701 | 0.70 | CA5A (0.54) | TSHRALDH1A1KMT2ATDP1SMN1; SMN2 | |
| SCHEMBL28167083 | 0.70 | ABL1 (0.39) | HSD17B10MAPK1TSHRKDM4ELMNA | |
| SCHEMBL2128158 | 0.70 | L3MBTL1 (0.35) | HSD17B10MAPK1TSHRKDM4EKMT2A | |
| SCHEMBL151254 | 0.70 | MAPT (0.40) | HSD17B10TSHRKDM4ELMNAALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |